[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate bromide CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate bromide Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C21H30BrNO3S MolecularWeight: 456.4368

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCC3)(C4=CC=CS4)O.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@](C3CCCC3)(C4=CC=CS4)O.[Br-]

InChI

InChI=1S/C21H30NO3S.BrH/c1-2-11-22-12-9-16(10-13-22)18(15-22)25-20(23)21(24,17-6-3-4-7-17)19-8-5-14-26-19;/h2,5,8,14,16-18,24H,1,3-4,6-7,9-13,15H2;1H/q+1;/p-1/t16?,18-,21-,22?;/m0./s1